tert-butyl[(tert-butylimino)bis(dimethylamino)tungstenylidene]amine

• ChemBase ID: 140213
• Molecular Formular: C12H30N4W
• Molecular Mass: 414.2334
• Monoisotopic Mass: 414.19797798
• SMILES: CC(C)(C)N=[W](=NC(C)(C)C)(N(C)C)N(C)C
• Canonical SMILES: CN([W](=NC(C)(C)C)(=NC(C)(C)C)N(C)C)C
• InChI: InChI=1S/2C4H9N.2C2H6N.W/c2*1-4(2,3)5;2*1-3-2;/h2*1-3H3;2*1-2H3;/q;;2*-1;+2
• InChIKey: JVCWKXBYGCJHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[(tert-butylimino)bis(dimethylamino)tungstenylidene]amine
• IUPAC Traditional name: tert-butyl[(tert-butylimino)bis(dimethylamino)tungstenylidene]amine
• Synonyms: BTBMW; Bis(tert-butylimino)bis(dimethylamino)tungsten(VI); 双(叔丁基亚氨基)双(二甲基氨基)钨(VI)

Database IDs

• CAS Number: 406462-43-9
• MDL Number: MFCD07369712
• PubChem SID: 162234457; 24880900; 24885006
• PubChem CID: 16217328

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.8454912
• LogD (pH = 7.4): -1.4053262
• Log P: 1.3772
• Molar Refractivity: 72.1914 cm^3
• Polarizability: 34.75842 Å^3
• Polar Surface Area: 31.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 81 °C/0.02 mmHg(lit.)
• Flash Point: 13 °C; 55.4 °F
• Density: 1.305 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3398
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-15-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314
• GHS Precautionary statements: P210-P223-P231 + P232-P280-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3398 4.3/PG 1

Product Information

• Purity: 97%; 99.99% trace metals basis
• Quality Level: HITECH
• Linear Formula: ((CH3)3CN)2W(N(CH3)2)2

DETAILS

Sigma Aldrich - 577936

Packaging
5 g in ampule

Sigma Aldrich - 668885

Frequently Asked Questions
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Application
Precursor for the deposition of tungsten carbide1 and -nitride2 by atomic layer deposition.
General description
Atomic number of base material: 74 Tungsten
Packaging
10 g in ss cylinder
Protocols & Applications
Precursors Packaged for Depositions Systems